N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide

C15H18N2O — CID 113477452

IUPACN-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC#CCC(CC)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H18N2O/c1-3-7-12(4-2)16-15(18)14-10-11-8-5-6-9-13(11)17-14/h1,5-6,8-9,12,14,17H,4,7,10H2,2H3,(H,16,18)
InChIKeyPCYUBTXWWHYQOO-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.94
Rot. Bonds4

About N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide

N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 113477452) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID113477452
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC#CCC(CC)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H18N2O/c1-3-7-12(4-2)16-15(18)14-10-11-8-5-6-9-13(11)17-14/h1,5-6,8-9,12,14,17H,4,7,10H2,2H3,(H,16,18)
InChIKeyPCYUBTXWWHYQOO-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901728
N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703725
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24705995
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 113477452) is N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide is C#CCC(CC)NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PCYUBTXWWHYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-7-12(4-2)16-15(18)14-10-11-8-5-6-9-13(11)17-14/h1,5-6,8-9,12,14,17H,4,7,10H2,2H3,(H,16,18).
What are the key properties of N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 113477452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).